BDBM243114 (S)-N-((S)-5-acetyl-1-((1-(2- cyanophenyl)-1H-indazol-3-yl)methyl)-2- oxo-7-(trifluoromethyl)-2,3,4,5- tetrahydro-1H-benzo[b][1,4]diazepin-3- yl)-2-(methylamino)propanamide hydrochloride::US10053431, 177

SMILES CN[C@@H](C)C(=O)N[C@H]1CN(C(C)=O)c2cc(ccc2N(Cc2nn(-c3ccccc3C#N)c3ccccc23)C1=O)C(F)(F)F

InChI Key InChIKey=UUYJEDVPKLBWTH-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 243114   

TargetE3 ubiquitin-protein ligase XIAP [124-240](Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 243114BDBM243114((S)-N-((S)-5-acetyl-1-((1-(2- cyanophenyl)-1H-inda...)
Affinity DataIC50: 35.3nMpH: 7.5 T: 2°CAssay Description:Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2018
Entry Details
US Patent

TargetE3 ubiquitin-protein ligase XIAP [241-356](Human)
Hoffmann-La Roche

US Patent
LigandChemical structure of BindingDB Monomer ID 243114BDBM243114((S)-N-((S)-5-acetyl-1-((1-(2- cyanophenyl)-1H-inda...)
Affinity DataIC50: 5.48E+4nMpH: 7.5 T: 2°CAssay Description:Ten nanomolar of 6× Histidine-tagged BIR2 domain, corresponding to amino acids 124-240 of XIAP, or BIR3 domain, corresponding to amino acids 241-356 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2018
Entry Details
US Patent